CID 50005

2-isopropoxyethyl carbamate

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

CC(C)OCCOC(=O)N

InChI

InChI=1S/C6H13NO3/c1-5(2)9-3-4-10-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)

InChIKey

WFGYALSKIQVJKA-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyethyl carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 147.08954 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.09682	131.8
[M+Na]+	170.07876	138.0
[M-H]-	146.08226	131.6
[M+NH4]+	165.12336	152.6
[M+K]+	186.05270	139.1
[M+H-H2O]+	130.08680	126.7
[M+HCOO]-	192.08774	155.0
[M+CH3COO]-	206.10339	177.4
[M+Na-2H]-	168.06421	135.4
[M]+	147.08899	133.5
[M]-	147.09009	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe